1-[[3-[(1R,5S)-3-[5-(1,1-difluoroethyl)-3-pyridinyl]-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;6-[[3-[3-fluoro-3-(4-methylphenyl)cyclobutyl]-1,2,4-oxadiazol-5-yl]methyl]-1-methyltriazolo[4,5-d]pyrimidin-7-one;1-[[3-[(1R,5S)-3-[4-(furan-2-yl)phenyl]-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;7-methyl-1-[[3-[(1S,5R)-3-(2-methyl-4-pyridinyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]purin-6-one;7-methyl-1-[[3-[(1R,5S)-3-(4-methyl-2-pyridinyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]purin-6-one;7-methyl-1-[[3-[(1S,5R)-3-(5-methyl-3-pyridinyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]purin-6-one;3-[[3-[3-(3-methylphenoxy)cyclobutyl]-1,2,4-oxadiazol-5-yl]methyl]pyrido[2,3-d]pyrimidin-4-one;3-[[3-[(1S,5R)-3-(5-methyl-2-pyridinyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]pyrido[2,3-d]pyrimidin-4-one

C166H157F3N58O18 — CID 158813224

IUPAC1-[[3-[(1R,5S)-3-[5-(1,1-difluoroethyl)-3-pyridinyl]-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;6-[[3-[3-fluoro-3-(4-methylphenyl)cyclobutyl]-1,2,4-oxadiazol-5-yl]methyl]-1-methyltriazolo[4,5-d]pyrimidin-7-one;1-[[3-[(1R,5S)-3-[4-(furan-2-yl)phenyl]-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;7-methyl-1-[[3-[(1S,5R)-3-(2-methyl-4-pyridinyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]purin-6-one;7-methyl-1-[[3-[(1R,5S)-3-(4-methyl-2-pyridinyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]purin-6-one;7-methyl-1-[[3-[(1S,5R)-3-(5-methyl-3-pyridinyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]purin-6-one;3-[[3-[3-(3-methylphenoxy)cyclobutyl]-1,2,4-oxadiazol-5-yl]methyl]pyrido[2,3-d]pyrimidin-4-one;3-[[3-[(1S,5R)-3-(5-methyl-2-pyridinyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]pyrido[2,3-d]pyrimidin-4-one
SMILESCc1cc(N2C[C@@H]3C(c4noc(Cn5cnc6ncn(C)c6c5=O)n4)[C@@H]3C2)ccn1.Cc1ccc(C2(F)CC(c3noc(Cn4cnc5nnn(C)c5c4=O)n3)C2)cc1.Cc1ccc(N2C[C@@H]3C(c4noc(Cn5cnc6ncccc6c5=O)n4)[C@@H]3C2)nc1.Cc1cccc(OC2CC(c3noc(Cn4cnc5ncccc5c4=O)n3)C2)c1.Cc1ccnc(N2C[C@@H]3C(c4noc(Cn5cnc6ncn(C)c6c5=O)n4)[C@@H]3C2)c1.Cc1cncc(N2C[C@@H]3C(c4noc(Cn5cnc6ncn(C)c6c5=O)n4)[C@@H]3C2)c1.Cn1cnc2ncn(Cc3nc(C4[C@H]5CN(c6ccc(-c7ccco7)cc6)C[C@@H]45)no3)c(=O)c21.Cn1cnc2ncn(Cc3nc(C4[C@H]5CN(c6cncc(C(C)(F)F)c6)C[C@@H]45)no3)c(=O)c21
InChIInChI=1S/C24H21N7O3.C21H20F2N8O2.C21H19N7O2.C21H19N5O3.3C20H20N8O2.C19H18FN7O2/c1-29-12-25-23-21(29)24(32)31(13-26-23)11-19-27-22(28-34-19)20-16-9-30(10-17(16)20)15-6-4-14(5-7-15)18-3-2-8-33-18;1-21(22,23)11-3-12(5-24-4-11)30-6-13-14(7-30)16(13)18-27-15(33-28-18)8-31-10-26-19-17(20(31)32)29(2)9-25-19;1-12-4-5-16(23-7-12)27-8-14-15(9-27)18(14)20-25-17(30-26-20)10-28-11-24-19-13(21(28)29)3-2-6-22-19;1-13-4-2-5-15(8-13)28-16-9-14(10-16)19-24-18(29-25-19)11-26-12-23-20-17(21(26)27)6-3-7-22-20;1-11-3-12(5-21-4-11)27-6-13-14(7-27)16(13)18-24-15(30-25-18)8-28-10-23-19-17(20(28)29)26(2)9-22-19;1-11-5-12(3-4-21-11)27-6-13-14(7-27)16(13)18-24-15(30-25-18)8-28-10-23-19-17(20(28)29)26(2)9-22-19;1-11-3-4-21-14(5-11)27-6-12-13(7-27)16(12)18-24-15(30-25-18)8-28-10-23-19-17(20(28)29)26(2)9-22-19;1-11-3-5-13(6-4-11)19(20)7-12(8-19)16-22-14(29-24-16)9-27-10-21-17-15(18(27)28)26(2)25-23-17/h2-8,12-13,16-17,20H,9-11H2,1H3;3-5,9-10,13-14,16H,6-8H2,1-2H3;2-7,11,14-15,18H,8-10H2,1H3;2-8,12,14,16H,9-11H2,1H3;2*3-5,9-10,13-14,16H,6-8H2,1-2H3;3-5,9-10,12-13,16H,6-8H2,1-2H3;3-6,10,12H,7-9H2,1-2H3/t16-,17+,20?;13-,14+,16?;14-,15+,18?;;2*13-,14+,16?;12-,13+,16?;
InChIKeyIUYFJRBMTOVZIW-RRCIUPQVSA-N
MW3309.46 g/mol
LogP14.57
Rot. Bonds35

About 1-[[3-[(1R,5S)-3-[5-(1,1-difluoroethyl)-3-pyridinyl]-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;6-[[3-[3-fluoro-3-(4-methylphenyl)cyclobutyl]-1,2,4-oxadiazol-5-yl]methyl]-1-methyltriazolo[4,5-d]pyrimidin-7-one;1-[[3-[(1R,5S)-3-[4-(furan-2-yl)phenyl]-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;7-methyl-1-[[3-[(1S,5R)-3-(2-methyl-4-pyridinyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]purin-6-one;7-methyl-1-[[3-[(1R,5S)-3-(4-methyl-2-pyridinyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]purin-6-one;7-methyl-1-[[3-[(1S,5R)-3-(5-methyl-3-pyridinyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]purin-6-one;3-[[3-[3-(3-methylphenoxy)cyclobutyl]-1,2,4-oxadiazol-5-yl]methyl]pyrido[2,3-d]pyrimidin-4-one;3-[[3-[(1S,5R)-3-(5-methyl-2-pyridinyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]pyrido[2,3-d]pyrimidin-4-one

1-[[3-[(1R,5S)-3-[5-(1,1-difluoroethyl)-3-pyridinyl]-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;6-[[3-[3-fluoro-3-(4-methylphenyl)cyclobutyl]-1,2,4-oxadiazol-5-yl]methyl]-1-methyltriazolo[4,5-d]pyrimidin-7-one;1-[[3-[(1R,5S)-3-[4-(furan-2-yl)phenyl]-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;7-methyl-1-[[3-[(1S,5R)-3-(2-methyl-4-pyridinyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]purin-6-one;7-methyl-1-[[3-[(1R,5S)-3-(4-methyl-2-pyridinyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]purin-6-one;7-methyl-1-[[3-[(1S,5R)-3-(5-methyl-3-pyridinyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]purin-6-one;3-[[3-[3-(3-methylphenoxy)cyclobutyl]-1,2,4-oxadiazol-5-yl]methyl]pyrido[2,3-d]pyrimidin-4-one;3-[[3-[(1S,5R)-3-(5-methyl-2-pyridinyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]pyrido[2,3-d]pyrimidin-4-one (PubChem CID 158813224) has the molecular formula C166H157F3N58O18 and a molecular weight of 3309.46 g/mol. Its IUPAC name is 1-[[3-[(1R,5S)-3-[5-(1,1-difluoroethyl)-3-pyridinyl]-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;6-[[3-[3-fluoro-3-(4-methylphenyl)cyclobutyl]-1,2,4-oxadiazol-5-yl]methyl]-1-methyltriazolo[4,5-d]pyrimidin-7-one;1-[[3-[(1R,5S)-3-[4-(furan-2-yl)phenyl]-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;7-methyl-1-[[3-[(1S,5R)-3-(2-methyl-4-pyridinyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]purin-6-one;7-methyl-1-[[3-[(1R,5S)-3-(4-methyl-2-pyridinyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]purin-6-one;7-methyl-1-[[3-[(1S,5R)-3-(5-methyl-3-pyridinyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]purin-6-one;3-[[3-[3-(3-methylphenoxy)cyclobutyl]-1,2,4-oxadiazol-5-yl]methyl]pyrido[2,3-d]pyrimidin-4-one;3-[[3-[(1S,5R)-3-(5-methyl-2-pyridinyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]pyrido[2,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name1-[[3-[(1R,5S)-3-[5-(1,1-difluoroethyl)-3-pyridinyl]-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;6-[[3-[3-fluoro-3-(4-methylphenyl)cyclobutyl]-1,2,4-oxadiazol-5-yl]methyl]-1-methyltriazolo[4,5-d]pyrimidin-7-one;1-[[3-[(1R,5S)-3-[4-(furan-2-yl)phenyl]-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;7-methyl-1-[[3-[(1S,5R)-3-(2-methyl-4-pyridinyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]purin-6-one;7-methyl-1-[[3-[(1R,5S)-3-(4-methyl-2-pyridinyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]purin-6-one;7-methyl-1-[[3-[(1S,5R)-3-(5-methyl-3-pyridinyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]purin-6-one;3-[[3-[3-(3-methylphenoxy)cyclobutyl]-1,2,4-oxadiazol-5-yl]methyl]pyrido[2,3-d]pyrimidin-4-one;3-[[3-[(1S,5R)-3-(5-methyl-2-pyridinyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]pyrido[2,3-d]pyrimidin-4-one
PubChem CID158813224
Molecular FormulaC166H157F3N58O18
Molecular Weight3309.46 g/mol
Exact Mass3307.31
IUPAC Name1-[[3-[(1R,5S)-3-[5-(1,1-difluoroethyl)-3-pyridinyl]-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;6-[[3-[3-fluoro-3-(4-methylphenyl)cyclobutyl]-1,2,4-oxadiazol-5-yl]methyl]-1-methyltriazolo[4,5-d]pyrimidin-7-one;1-[[3-[(1R,5S)-3-[4-(furan-2-yl)phenyl]-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;7-methyl-1-[[3-[(1S,5R)-3-(2-methyl-4-pyridinyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]purin-6-one;7-methyl-1-[[3-[(1R,5S)-3-(4-methyl-2-pyridinyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]purin-6-one;7-methyl-1-[[3-[(1S,5R)-3-(5-methyl-3-pyridinyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]purin-6-one;3-[[3-[3-(3-methylphenoxy)cyclobutyl]-1,2,4-oxadiazol-5-yl]methyl]pyrido[2,3-d]pyrimidin-4-one;3-[[3-[(1S,5R)-3-(5-methyl-2-pyridinyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]pyrido[2,3-d]pyrimidin-4-one
SMILESCc1cc(N2C[C@@H]3C(c4noc(Cn5cnc6ncn(C)c6c5=O)n4)[C@@H]3C2)ccn1.Cc1ccc(C2(F)CC(c3noc(Cn4cnc5nnn(C)c5c4=O)n3)C2)cc1.Cc1ccc(N2C[C@@H]3C(c4noc(Cn5cnc6ncccc6c5=O)n4)[C@@H]3C2)nc1.Cc1cccc(OC2CC(c3noc(Cn4cnc5ncccc5c4=O)n3)C2)c1.Cc1ccnc(N2C[C@@H]3C(c4noc(Cn5cnc6ncn(C)c6c5=O)n4)[C@@H]3C2)c1.Cc1cncc(N2C[C@@H]3C(c4noc(Cn5cnc6ncn(C)c6c5=O)n4)[C@@H]3C2)c1.Cn1cnc2ncn(Cc3nc(C4[C@H]5CN(c6ccc(-c7ccco7)cc6)C[C@@H]45)no3)c(=O)c21.Cn1cnc2ncn(Cc3nc(C4[C@H]5CN(c6cncc(C(C)(F)F)c6)C[C@@H]45)no3)c(=O)c21
InChIInChI=1S/C24H21N7O3.C21H20F2N8O2.C21H19N7O2.C21H19N5O3.3C20H20N8O2.C19H18FN7O2/c1-29-12-25-23-21(29)24(32)31(13-26-23)11-19-27-22(28-34-19)20-16-9-30(10-17(16)20)15-6-4-14(5-7-15)18-3-2-8-33-18;1-21(22,23)11-3-12(5-24-4-11)30-6-13-14(7-30)16(13)18-27-15(33-28-18)8-31-10-26-19-17(20(31)32)29(2)9-25-19;1-12-4-5-16(23-7-12)27-8-14-15(9-27)18(14)20-25-17(30-26-20)10-28-11-24-19-13(21(28)29)3-2-6-22-19;1-13-4-2-5-15(8-13)28-16-9-14(10-16)19-24-18(29-25-19)11-26-12-23-20-17(21(26)27)6-3-7-22-20;1-11-3-12(5-21-4-11)27-6-13-14(7-27)16(13)18-24-15(30-25-18)8-28-10-23-19-17(20(28)29)26(2)9-22-19;1-11-5-12(3-4-21-11)27-6-13-14(7-27)16(13)18-24-15(30-25-18)8-28-10-23-19-17(20(28)29)26(2)9-22-19;1-11-3-4-21-14(5-11)27-6-12-13(7-27)16(12)18-24-15(30-25-18)8-28-10-23-19-17(20(28)29)26(2)9-22-19;1-11-3-5-13(6-4-11)19(20)7-12(8-19)16-22-14(29-24-16)9-27-10-21-17-15(18(27)28)26(2)25-23-17/h2-8,12-13,16-17,20H,9-11H2,1H3;3-5,9-10,13-14,16H,6-8H2,1-2H3;2-7,11,14-15,18H,8-10H2,1H3;2-8,12,14,16H,9-11H2,1H3;2*3-5,9-10,13-14,16H,6-8H2,1-2H3;3-5,9-10,12-13,16H,6-8H2,1-2H3;3-6,10,12H,7-9H2,1-2H3/t16-,17+,20?;13-,14+,16?;14-,15+,18?;;2*13-,14+,16?;12-,13+,16?;
InChIKeyIUYFJRBMTOVZIW-RRCIUPQVSA-N
XLogP14.57
TPSA842.33 Ų
H-Bond Donors
H-Bond Acceptors76
Rotatable Bonds35
Heavy Atoms245
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003309.46
LogP ≤ 514.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1076

Analyze 1-[[3-[(1R,5S)-3-[5-(1,1-difluoroethyl)-3-pyridinyl]-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;6-[[3-[3-fluoro-3-(4-methylphenyl)cyclobutyl]-1,2,4-oxadiazol-5-yl]methyl]-1-methyltriazolo[4,5-d]pyrimidin-7-one;1-[[3-[(1R,5S)-3-[4-(furan-2-yl)phenyl]-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;7-methyl-1-[[3-[(1S,5R)-3-(2-methyl-4-pyridinyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]purin-6-one;7-methyl-1-[[3-[(1R,5S)-3-(4-methyl-2-pyridinyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]purin-6-one;7-methyl-1-[[3-[(1S,5R)-3-(5-methyl-3-pyridinyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]purin-6-one;3-[[3-[3-(3-methylphenoxy)cyclobutyl]-1,2,4-oxadiazol-5-yl]methyl]pyrido[2,3-d]pyrimidin-4-one;3-[[3-[(1S,5R)-3-(5-methyl-2-pyridinyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]pyrido[2,3-d]pyrimidin-4-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[[3-[(1R,5S)-3-[5-(1,1-difluoroethyl)-3-pyridinyl]-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;6-[[3-[3-fluoro-3-(4-methylphenyl)cyclobutyl]-1,2,4-oxadiazol-5-yl]methyl]-1-methyltriazolo[4,5-d]pyrimidin-7-one;1-[[3-[(1R,5S)-3-[4-(furan-2-yl)phenyl]-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;7-methyl-1-[[3-[(1S,5R)-3-(2-methyl-4-pyridinyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]purin-6-one;7-methyl-1-[[3-[(1R,5S)-3-(4-methyl-2-pyridinyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]purin-6-one;7-methyl-1-[[3-[(1S,5R)-3-(5-methyl-3-pyridinyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]purin-6-one;3-[[3-[3-(3-methylphenoxy)cyclobutyl]-1,2,4-oxadiazol-5-yl]methyl]pyrido[2,3-d]pyrimidin-4-one;3-[[3-[(1S,5R)-3-(5-methyl-2-pyridinyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]pyrido[2,3-d]pyrimidin-4-one?
The IUPAC name of 1-[[3-[(1R,5S)-3-[5-(1,1-difluoroethyl)-3-pyridinyl]-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;6-[[3-[3-fluoro-3-(4-methylphenyl)cyclobutyl]-1,2,4-oxadiazol-5-yl]methyl]-1-methyltriazolo[4,5-d]pyrimidin-7-one;1-[[3-[(1R,5S)-3-[4-(furan-2-yl)phenyl]-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;7-methyl-1-[[3-[(1S,5R)-3-(2-methyl-4-pyridinyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]purin-6-one;7-methyl-1-[[3-[(1R,5S)-3-(4-methyl-2-pyridinyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]purin-6-one;7-methyl-1-[[3-[(1S,5R)-3-(5-methyl-3-pyridinyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]purin-6-one;3-[[3-[3-(3-methylphenoxy)cyclobutyl]-1,2,4-oxadiazol-5-yl]methyl]pyrido[2,3-d]pyrimidin-4-one;3-[[3-[(1S,5R)-3-(5-methyl-2-pyridinyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]pyrido[2,3-d]pyrimidin-4-one (CID 158813224) is 1-[[3-[(1R,5S)-3-[5-(1,1-difluoroethyl)-3-pyridinyl]-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;6-[[3-[3-fluoro-3-(4-methylphenyl)cyclobutyl]-1,2,4-oxadiazol-5-yl]methyl]-1-methyltriazolo[4,5-d]pyrimidin-7-one;1-[[3-[(1R,5S)-3-[4-(furan-2-yl)phenyl]-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;7-methyl-1-[[3-[(1S,5R)-3-(2-methyl-4-pyridinyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]purin-6-one;7-methyl-1-[[3-[(1R,5S)-3-(4-methyl-2-pyridinyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]purin-6-one;7-methyl-1-[[3-[(1S,5R)-3-(5-methyl-3-pyridinyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]purin-6-one;3-[[3-[3-(3-methylphenoxy)cyclobutyl]-1,2,4-oxadiazol-5-yl]methyl]pyrido[2,3-d]pyrimidin-4-one;3-[[3-[(1S,5R)-3-(5-methyl-2-pyridinyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]pyrido[2,3-d]pyrimidin-4-one.
What is the SMILES notation for 1-[[3-[(1R,5S)-3-[5-(1,1-difluoroethyl)-3-pyridinyl]-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;6-[[3-[3-fluoro-3-(4-methylphenyl)cyclobutyl]-1,2,4-oxadiazol-5-yl]methyl]-1-methyltriazolo[4,5-d]pyrimidin-7-one;1-[[3-[(1R,5S)-3-[4-(furan-2-yl)phenyl]-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;7-methyl-1-[[3-[(1S,5R)-3-(2-methyl-4-pyridinyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]purin-6-one;7-methyl-1-[[3-[(1R,5S)-3-(4-methyl-2-pyridinyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]purin-6-one;7-methyl-1-[[3-[(1S,5R)-3-(5-methyl-3-pyridinyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]purin-6-one;3-[[3-[3-(3-methylphenoxy)cyclobutyl]-1,2,4-oxadiazol-5-yl]methyl]pyrido[2,3-d]pyrimidin-4-one;3-[[3-[(1S,5R)-3-(5-methyl-2-pyridinyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]pyrido[2,3-d]pyrimidin-4-one?
The canonical SMILES for 1-[[3-[(1R,5S)-3-[5-(1,1-difluoroethyl)-3-pyridinyl]-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;6-[[3-[3-fluoro-3-(4-methylphenyl)cyclobutyl]-1,2,4-oxadiazol-5-yl]methyl]-1-methyltriazolo[4,5-d]pyrimidin-7-one;1-[[3-[(1R,5S)-3-[4-(furan-2-yl)phenyl]-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;7-methyl-1-[[3-[(1S,5R)-3-(2-methyl-4-pyridinyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]purin-6-one;7-methyl-1-[[3-[(1R,5S)-3-(4-methyl-2-pyridinyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]purin-6-one;7-methyl-1-[[3-[(1S,5R)-3-(5-methyl-3-pyridinyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]purin-6-one;3-[[3-[3-(3-methylphenoxy)cyclobutyl]-1,2,4-oxadiazol-5-yl]methyl]pyrido[2,3-d]pyrimidin-4-one;3-[[3-[(1S,5R)-3-(5-methyl-2-pyridinyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]pyrido[2,3-d]pyrimidin-4-one is Cc1cc(N2C[C@@H]3C(c4noc(Cn5cnc6ncn(C)c6c5=O)n4)[C@@H]3C2)ccn1.Cc1ccc(C2(F)CC(c3noc(Cn4cnc5nnn(C)c5c4=O)n3)C2)cc1.Cc1ccc(N2C[C@@H]3C(c4noc(Cn5cnc6ncccc6c5=O)n4)[C@@H]3C2)nc1.Cc1cccc(OC2CC(c3noc(Cn4cnc5ncccc5c4=O)n3)C2)c1.Cc1ccnc(N2C[C@@H]3C(c4noc(Cn5cnc6ncn(C)c6c5=O)n4)[C@@H]3C2)c1.Cc1cncc(N2C[C@@H]3C(c4noc(Cn5cnc6ncn(C)c6c5=O)n4)[C@@H]3C2)c1.Cn1cnc2ncn(Cc3nc(C4[C@H]5CN(c6ccc(-c7ccco7)cc6)C[C@@H]45)no3)c(=O)c21.Cn1cnc2ncn(Cc3nc(C4[C@H]5CN(c6cncc(C(C)(F)F)c6)C[C@@H]45)no3)c(=O)c21.
What is the InChIKey of 1-[[3-[(1R,5S)-3-[5-(1,1-difluoroethyl)-3-pyridinyl]-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;6-[[3-[3-fluoro-3-(4-methylphenyl)cyclobutyl]-1,2,4-oxadiazol-5-yl]methyl]-1-methyltriazolo[4,5-d]pyrimidin-7-one;1-[[3-[(1R,5S)-3-[4-(furan-2-yl)phenyl]-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;7-methyl-1-[[3-[(1S,5R)-3-(2-methyl-4-pyridinyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]purin-6-one;7-methyl-1-[[3-[(1R,5S)-3-(4-methyl-2-pyridinyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]purin-6-one;7-methyl-1-[[3-[(1S,5R)-3-(5-methyl-3-pyridinyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]purin-6-one;3-[[3-[3-(3-methylphenoxy)cyclobutyl]-1,2,4-oxadiazol-5-yl]methyl]pyrido[2,3-d]pyrimidin-4-one;3-[[3-[(1S,5R)-3-(5-methyl-2-pyridinyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]pyrido[2,3-d]pyrimidin-4-one?
The InChIKey is IUYFJRBMTOVZIW-RRCIUPQVSA-N. The full InChI is InChI=1S/C24H21N7O3.C21H20F2N8O2.C21H19N7O2.C21H19N5O3.3C20H20N8O2.C19H18FN7O2/c1-29-12-25-23-21(29)24(32)31(13-26-23)11-19-27-22(28-34-19)20-16-9-30(10-17(16)20)15-6-4-14(5-7-15)18-3-2-8-33-18;1-21(22,23)11-3-12(5-24-4-11)30-6-13-14(7-30)16(13)18-27-15(33-28-18)8-31-10-26-19-17(20(31)32)29(2)9-25-19;1-12-4-5-16(23-7-12)27-8-14-15(9-27)18(14)20-25-17(30-26-20)10-28-11-24-19-13(21(28)29)3-2-6-22-19;1-13-4-2-5-15(8-13)28-16-9-14(10-16)19-24-18(29-25-19)11-26-12-23-20-17(21(26)27)6-3-7-22-20;1-11-3-12(5-21-4-11)27-6-13-14(7-27)16(13)18-24-15(30-25-18)8-28-10-23-19-17(20(28)29)26(2)9-22-19;1-11-5-12(3-4-21-11)27-6-13-14(7-27)16(13)18-24-15(30-25-18)8-28-10-23-19-17(20(28)29)26(2)9-22-19;1-11-3-4-21-14(5-11)27-6-12-13(7-27)16(12)18-24-15(30-25-18)8-28-10-23-19-17(20(28)29)26(2)9-22-19;1-11-3-5-13(6-4-11)19(20)7-12(8-19)16-22-14(29-24-16)9-27-10-21-17-15(18(27)28)26(2)25-23-17/h2-8,12-13,16-17,20H,9-11H2,1H3;3-5,9-10,13-14,16H,6-8H2,1-2H3;2-7,11,14-15,18H,8-10H2,1H3;2-8,12,14,16H,9-11H2,1H3;2*3-5,9-10,13-14,16H,6-8H2,1-2H3;3-5,9-10,12-13,16H,6-8H2,1-2H3;3-6,10,12H,7-9H2,1-2H3/t16-,17+,20?;13-,14+,16?;14-,15+,18?;;2*13-,14+,16?;12-,13+,16?;.
What are the key properties of 1-[[3-[(1R,5S)-3-[5-(1,1-difluoroethyl)-3-pyridinyl]-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;6-[[3-[3-fluoro-3-(4-methylphenyl)cyclobutyl]-1,2,4-oxadiazol-5-yl]methyl]-1-methyltriazolo[4,5-d]pyrimidin-7-one;1-[[3-[(1R,5S)-3-[4-(furan-2-yl)phenyl]-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;7-methyl-1-[[3-[(1S,5R)-3-(2-methyl-4-pyridinyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]purin-6-one;7-methyl-1-[[3-[(1R,5S)-3-(4-methyl-2-pyridinyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]purin-6-one;7-methyl-1-[[3-[(1S,5R)-3-(5-methyl-3-pyridinyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]purin-6-one;3-[[3-[3-(3-methylphenoxy)cyclobutyl]-1,2,4-oxadiazol-5-yl]methyl]pyrido[2,3-d]pyrimidin-4-one;3-[[3-[(1S,5R)-3-(5-methyl-2-pyridinyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]pyrido[2,3-d]pyrimidin-4-one?
1-[[3-[(1R,5S)-3-[5-(1,1-difluoroethyl)-3-pyridinyl]-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;6-[[3-[3-fluoro-3-(4-methylphenyl)cyclobutyl]-1,2,4-oxadiazol-5-yl]methyl]-1-methyltriazolo[4,5-d]pyrimidin-7-one;1-[[3-[(1R,5S)-3-[4-(furan-2-yl)phenyl]-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;7-methyl-1-[[3-[(1S,5R)-3-(2-methyl-4-pyridinyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]purin-6-one;7-methyl-1-[[3-[(1R,5S)-3-(4-methyl-2-pyridinyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]purin-6-one;7-methyl-1-[[3-[(1S,5R)-3-(5-methyl-3-pyridinyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]purin-6-one;3-[[3-[3-(3-methylphenoxy)cyclobutyl]-1,2,4-oxadiazol-5-yl]methyl]pyrido[2,3-d]pyrimidin-4-one;3-[[3-[(1S,5R)-3-(5-methyl-2-pyridinyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]pyrido[2,3-d]pyrimidin-4-one has a molecular weight of 3309.46 g/mol, XLogP of 14.57, 35 rotatable bonds, 0 hydrogen bond donors, and 76 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[3-[(1R,5S)-3-[5-(1,1-difluoroethyl)-3-pyridinyl]-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;6-[[3-[3-fluoro-3-(4-methylphenyl)cyclobutyl]-1,2,4-oxadiazol-5-yl]methyl]-1-methyltriazolo[4,5-d]pyrimidin-7-one;1-[[3-[(1R,5S)-3-[4-(furan-2-yl)phenyl]-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;7-methyl-1-[[3-[(1S,5R)-3-(2-methyl-4-pyridinyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]purin-6-one;7-methyl-1-[[3-[(1R,5S)-3-(4-methyl-2-pyridinyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]purin-6-one;7-methyl-1-[[3-[(1S,5R)-3-(5-methyl-3-pyridinyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]purin-6-one;3-[[3-[3-(3-methylphenoxy)cyclobutyl]-1,2,4-oxadiazol-5-yl]methyl]pyrido[2,3-d]pyrimidin-4-one;3-[[3-[(1S,5R)-3-(5-methyl-2-pyridinyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]pyrido[2,3-d]pyrimidin-4-one is sourced from PubChem (CID 158813224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).